2-[[3-[(E)-oct-1-enyl]furan-2-yl]methylidene]propanedioic acid

Systemtic Name: 2-[[3-[(E)-oct-1-enyl]furan-2-yl]methylidene]propanedioic acid Openeye Name: 2-[[3-[(E)-oct-1-enyl]-2-furyl]methylene]propanedioic acid CAS Name: 2-[[3-[(E)-oct-1-enyl]-2-furanyl]methylidene]propanedioic acid IUPAC Name: 2-[[3-[(E)-oct-1-enyl]furan-2-yl]methylidene]propanedioic acid Traditional Name: 2-[[3-[(E)-oct-1-enyl]-2-furyl]methylene]malonic acid Formula: C16H20O5 MolecularWeight: 292.327

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC1=C(OC=C1)C=C(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCC/C=C/C1=C(OC=C1)C=C(C(=O)O)C(=O)O

InChI

InChI=1S/C16H20O5/c1-2-3-4-5-6-7-8-12-9-10-21-14(12)11-13(15(17)18)16(19)20/h7-11H,2-6H2,1H3,(H,17,18)(H,19,20)/b8-7+